3Q6S

the crystal structure of the heterochromatin protein 1 beta chromoshadow domain complexed with a peptide from shugoshin 1

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 45
  • Norm. En. per Res.: -7.5975
• Hub Node: A(5)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-32.9284	-7.7797	-69.6346	-110.3427	25	5	2	2473	0	7	4
A-C	-18.8918	12.5722	-92.0486	-98.3683	44	3	0	3337	0	22	21
A-D	-9.0722	0.0	-175.969	-185.0412	64	2	5	6674	0	13	15
A-E	-6.9601	-15.1566	-17.9586	-40.0753	27	1	1	1119	2	5	5
A-F	-64.5649	9.6344	-154.435	-209.3655	34	6	3	5425	0	3	4
B-C	-8.3072	0.0	-163.662	-171.9692	67	2	5	6449	0	14	14
B-E	-103.7148	-10.2289	-203.224	-317.1677	43	10	7	7443	1	7	4
C-D	0.0	-6.3602	-29.265	-35.6252	22	0	2	1246	0	7	4
C-E	-48.1166	10.0959	-127.428	-165.4487	33	6	3	4693	0	2	4
C-F	0.0	-3.719	-25.5774	-29.2964	24	0	1	1336	0	4	4
D-F	-105.945	-19.0242	-216.92	-341.8891	45	12	7	7829	2	7	5
E-F	0.0	0.0	-0.1129	-0.1129	7	0	0	34	0	0	0

Interface residues

• A-B: ALA144A, ARG111A, ARG115A, ARG121A, ASP142A, ASP145A, GLU120A, GLU143A, GLY112A, HIS171B, ILE123A, LEU135A, LEU146A, LYS137A, MET136A, PHE134A, PRO174B, SER141A, SER172B, SER175B, THR126A, THR169B, TRP138A, TYR173B, VAL147A
• A-C: ARG121A, ARG121C, ARG167A, ARG167C, ASN140A, ASN140C, ASP142A, ASP142C, GLU118A, GLU120A, GLU120C, GLU165A, GLU165C, GLU166A, GLU166C, HIS171A, HIS171C, ILE122A, ILE122C, ILE123A, ILE123C, LEU168A, LEU168C, LYS137A, LYS137C, LYS139A, LYS139C, PHE163A, PHE163C, SER141A, SER141C, SER162A, SER162C, SER172A, SER172C, THR169A, THR169C, TRP138A, TRP138C, TRP170A, TRP170C, TYR164A, TYR164C, TYR173C
• A-D: ALA125A, ALA125D, ALA149A, ALA149D, ALA152A, ALA152D, ARG167A, ARG167D, ASN153A, ASN153D, ASP127A, ASP127D, CYS156A, CYS156D, GLN158A, GLN158D, GLU131A, GLU131D, GLU151A, GLU151D, GLU165A, GLU165D, GLU166A, GLU166D, GLY124A, GLY124D, HIS171A, HIS171D, ILE161A, ILE161D, LEU132A, LEU132D, LEU168A, LEU168D, LYS150A, LYS150D, LYS155A, LYS155D, MET133A, MET133D, PHE134A, PHE134D, PHE163A, PHE163D, PRO157A, PRO157D, SER128A, SER128D, SER162A, SER162D, THR126A, THR126D, THR169A, THR169D, TRP170A, TRP170D, TYR164A, TYR164D, VAL154A, VAL154D, VAL159A, VAL159D, VAL160A, VAL160D
• A-E: ALA125A, ALA144A, ARG121A, ARG167A, ARG457E, ASN140A, ASN446E, ASP142A, GLU120A, GLY124A, ILE123A, LEU135A, LEU146A, LEU449E, LYS137A, LYS139A, LYS454E, PHE163A, PRO451E, SER128A, SER141A, SER448E, THR126A, TYR450E, VAL447E, VAL452E, VAL453E
• A-F: ALA125A, ARG167A, ARG456F, ARG457F, ASP127A, GLU165A, GLU166A, GLY124A, HIS171A, ILE122A, ILE123A, ILE161A, ILE455F, LEU132A, LEU135A, LEU168A, LEU449F, LEU458F, LYS454F, PHE134A, PHE163A, PRO174A, PRO451F, SER128A, SER172A, THR126A, THR169A, TRP170A, TYR164A, TYR173A, TYR450F, VAL160A, VAL452F, VAL453F
• B-C: ALA125B, ALA125C, ALA149B, ALA149C, ALA152B, ALA152C, ARG167B, ARG167C, ASN153B, ASN153C, ASP127B, ASP127C, CYS156B, CYS156C, GLN158B, GLN158C, GLU131B, GLU131C, GLU151B, GLU151C, GLU165B, GLU165C, GLU166B, GLU166C, GLY124B, GLY124C, HIS171B, HIS171C, ILE161B, ILE161C, LEU132B, LEU132C, LEU168B, LEU168C, LYS150B, LYS150C, LYS155B, LYS155C, MET133B, MET133C, PHE134B, PHE134C, PHE163B, PHE163C, PRO157B, PRO157C, SER128B, SER128C, SER162B, SER162C, SER172C, THR126B, THR126C, THR169B, THR169C, TRP170B, TRP170C, TYR164B, TYR164C, TYR173B, TYR173C, VAL154B, VAL154C, VAL159B, VAL159C, VAL160B, VAL160C
• B-E: ALA125B, ALA144B, ARG167B, ARG456E, ARG457E, ASN446E, ASP127B, ASP145B, GLU165B, GLU166B, GLY124B, HIS171B, ILE122B, ILE123B, ILE455E, LEU132B, LEU135B, LEU146B, LEU168B, LEU449E, LEU458E, LYS454E, MET133B, MET136B, PHE134B, PHE163B, PRO174B, PRO451E, SER128B, SER129B, SER172B, SER175B, SER448E, SER459E, THR126B, THR169B, TRP170B, TYR164B, TYR173B, TYR450E, VAL447E, VAL452E, VAL453E
• C-D: ALA144C, ARG115C, ARG121C, ASP127D, ASP142C, ASP145C, GLU143C, HIS171D, ILE123C, LEU135C, LEU146C, LEU168D, LYS137C, LYS139C, MET133C, MET136C, PRO174D, SER141C, SER172D, THR126C, TRP170D, TYR173D
• C-E: ALA125C, ARG167C, ARG456E, ARG457E, ASP127C, GLU165C, GLU166C, GLY124C, HIS171C, ILE122C, ILE123C, ILE161C, ILE455E, LEU132C, LEU135C, LEU168C, LEU449E, LEU458E, LYS454E, MET133C, PHE134C, PHE163C, PRO451E, SER172C, THR126C, THR169C, TRP170C, TYR164C, TYR173C, TYR450E, VAL160C, VAL452E, VAL453E
• C-F: ALA144C, ARG121C, ARG167C, ARG457F, ASN140C, ASP142C, ASP145C, GLU120C, GLU143C, GLY124C, ILE123C, LEU135C, LEU449F, LYS137C, LYS139C, LYS454F, MET136C, PRO451F, SER141C, SER448F, TRP138C, TYR450F, VAL452F, VAL453F
• D-F: ALA125D, ALA144D, ARG167D, ARG456F, ARG457F, ASN446F, ASP127D, ASP145D, GLU165D, GLU166D, GLY124D, GLY130D, HIS171D, ILE122D, ILE123D, ILE455F, LEU132D, LEU135D, LEU146D, LEU168D, LEU449F, LEU458F, LEU460F, LYS454F, MET133D, MET136D, PHE134D, PHE163D, PRO174D, PRO451F, SER128D, SER129D, SER172D, SER448F, SER459F, THR126D, THR169D, THR445F, TRP170D, TYR164D, TYR173D, TYR450F, VAL447F, VAL452F, VAL453F
• E-F: ASN446E, LEU449F, PRO451F, SER448E, SER448F, TYR450E, TYR450F